[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C17H15BrClNO5 MolecularWeight: 428.6617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)Cl)OC

InChI

InChI=1S/C17H15BrClNO5/c1-23-12-6-11(7-13(8-12)24-2)20-16(21)9-25-17(22)14-5-10(18)3-4-15(14)19/h3-8H,9H2,1-2H3,(H,20,21)